N-叔丁氧羰基-D-4-苯甲酰基苯丙氨酸,117666-94-1，生产厂家，价格-洛克化工网移动版

N-叔丁氧羰基-D-4-苯甲酰基苯丙氨酸

中文名称：: N-叔丁氧羰基-D-4-苯甲酰基苯丙氨酸

中文别名：: N-叔丁氧羰基-D-4-苯甲酰基苯丙氨酸;
Boc-4-苯甲酰基-D-苯丙氨酸;
丁氧羰基-4-苯甲酰基-D-苯丙氨酸;
丁氧羰基-对苯甲酰基-D-苯丙氨酸;
Boc-D-4-苯甲酰基苯丙氨酸

英文名称：: D-Phenylalanine,4-benzoyl-N-[(1,1-dimethylethoxy)carbonyl]-

英文别名：: Boc-4-benzoyl-D-phenylalanine;
Boc-D-Bpa-OH;
(2R)-3-(4-benzoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;
(R)-3-(4-Benzoylphenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid

CAS No.：: 117666-94-1

分子式：: C₂₁H₂₃NO₅

分子量：: 369.41

精确分子量：: 369.15800

PSA：: 92.70000

MDL：: MFCD00237572

BRN：: 9075375

InChI：: InChI=1/C21H23NO5/c1-21(2,3)27-20(26)22-17(19(24)25)13-14-9-11-16(12-10-14)18(23)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,22,26)(H,24,25)/t17-/m1/s13

分子结构式：

SDS：: 查看

N-叔丁氧羰基-D-4-苯甲酰基苯丙氨酸物化性质

密度：: 1.204g/cm3
沸点：: 561.4ºC at 760mmHg
闪点：: 293.3ºC
折射率：: 1.567
蒸汽压：: 1.93E-13mmHg at 25°C
存储条件/存储方法：: 密封、在2 ºC -8 ºC下保存
其它信息：: 1.        性状：固体

2.         密度（g/mL,20℃）：未确定

3.         相对蒸汽密度（g/mL,空气=1）：未确定

4.         熔点（ºC）：未确定

5.         沸点（ºC,常压）：未确定

6.         沸点（ºC,KPa）：未确定

7.         折射率：未确定

8.         闪点（ºC）：未确定

9.         比旋光度（º）：未确定

10.      自燃点或引燃温度（ºC）：未确定

11.      蒸气压（Pa,20ºC）：未确定

12.      饱和蒸气压（KPa,20ºC）：未确定

13.      燃烧热（KJ/mol）：未确定

14.      临界温度（ºC）：未确定

15.      临界压力（KPa）：未确定

16.      油水（辛醇/水）分配系数的对数值：未确定

17.      爆炸上限（%,V/V）：未确定

18.      爆炸下限（%,V/V）：未确定

19.     溶解性：未确定

N-叔丁氧羰基-D-4-苯甲酰基苯丙氨酸安全信息

WGK_Germany：: 3
德国有关水污染物质的分类清单

N-叔丁氧羰基-D-4-苯甲酰基苯丙氨酸 MSDS

Material Safety Data Sheet

Section 1. Identiﬁcation of the substance
Product Name: Boc-d-bpa-oh
Synonyms:

Section 2. Hazards identiﬁcation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: Boc-d-bpa-oh
CAS number: 117666-94-1

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    ﬂushing of the eyes by separating the eyelids with ﬁngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire ﬁghting measures
    In the event of a ﬁre involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator
    Hand precaution:        Wear suitable gloves/gauntlets
    Skin protection:        Wear suitable protective clothing
    Eye protection:        Wear suitable eye protection
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualiﬁed
    in the handling and use of potentially hazardous chemicals, who should take into account the ﬁre,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speciﬁed
    Boiling point:        No data
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C21H23NO5
    Molecular weight:        369.4

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ﬂames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

N-叔丁氧羰基-D-4-苯甲酰基苯丙氨酸分子结构与计算化学数据

分子结构数据

1、摩尔折射率：100.25

2、摩尔体积（cm³/mol）：306.7

3、等张比容（90.2K）：809.1

4、表面张力（dyne/cm）：48.4

5、介电常数：无可用的

6、极化率（10^-24cm³）：39.74

7、单一同位素质量：369.157623 Da

8、标称质量：369 Da

9、平均质量：369.411 Da

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:2

3.氢键受体数量:5

4.可旋转化学键数量:8

5.互变异构体数量:8

6.拓扑分子极性表面积92.7

7.重原子数量:27

8.表面电荷:0

9.复杂度:525

10.同位素原子数量:0

11.确定原子立构中心数量:1

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1